6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine

C12H17N — CID 88997048

IUPAC6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine
SMILESNC1C=CCCC1C1=CCCC=C1
InChIInChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,5-7,9,11-12H,1,3-4,8,13H2
InChIKeyQXUPCNUHGSFRAL-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.56
Rot. Bonds1

About 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine

6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine (PubChem CID 88997048) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine
PubChem CID88997048
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine
SMILESNC1C=CCCC1C1=CCCC=C1
InChIInChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,5-7,9,11-12H,1,3-4,8,13H2
InChIKeyQXUPCNUHGSFRAL-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine?
The IUPAC name of 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine (CID 88997048) is 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine is NC1C=CCCC1C1=CCCC=C1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine?
The InChIKey is QXUPCNUHGSFRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,5-7,9,11-12H,1,3-4,8,13H2.
What are the key properties of 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine?
6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine is sourced from PubChem (CID 88997048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).